2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile

C10H3F4N3 — CID 26485483

IUPAC2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H3F4N3/c11-6-1-7(12)9(14)10(8(6)13)17-4-5(2-15)3-16/h1,4,17H
InChIKeyALMFOTFTHQJPNR-UHFFFAOYSA-N
MW241.15 g/mol
LogP2.59
Rot. Bonds2

About 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile

2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile (PubChem CID 26485483) has the molecular formula C10H3F4N3 and a molecular weight of 241.15 g/mol. Its IUPAC name is 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile
PubChem CID26485483
Molecular FormulaC10H3F4N3
Molecular Weight241.15 g/mol
Exact Mass241.03
IUPAC Name2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H3F4N3/c11-6-1-7(12)9(14)10(8(6)13)17-4-5(2-15)3-16/h1,4,17H
InChIKeyALMFOTFTHQJPNR-UHFFFAOYSA-N
XLogP2.59
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-difluoro-4-hydroxyanilino)methylidene]propanedinitrile
CID 168544639
2-[[4-bromo-2-fluoro-6-(methylamino)anilino]methylidene]propanedinitrile
CID 168545327
2-[(4-bromo-2-fluoro-6-hydroxyanilino)methylidene]propanedinitrile
CID 168542180
2-[(2,4-dibromo-3-fluoro-6-methylanilino)methylidene]propanedinitrile
CID 168541796
2-[(2,6-difluoro-3-methoxyanilino)methylidene]propanedinitrile
CID 168542480
2-[(3-bromo-2-fluoro-6-hydroxyanilino)methylidene]propanedinitrile
CID 168545339
2-[(2-fluoro-4-iodoanilino)methylidene]propanedinitrile
CID 168511625
2-[(5-bromo-3,4-difluoro-2-hydroxyanilino)methylidene]propanedinitrile
CID 168542993
6-chloro-2-(2,2-dicyanoethenylamino)-3-fluorobenzoic acid
CID 168543829
2-[(5-fluoro-4-methyl-2-sulfanylanilino)methylidene]propanedinitrile
CID 168543028
2-[(2-bromo-5-fluoro-4-iodoanilino)methylidene]propanedinitrile
CID 168542888
2-[(5-fluoro-2-hydroxyanilino)methylidene]propanedinitrile
CID 168541263

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile?
The IUPAC name of 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile (CID 26485483) is 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile?
The canonical SMILES for 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile is N#CC(C#N)=CNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile?
The InChIKey is ALMFOTFTHQJPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F4N3/c11-6-1-7(12)9(14)10(8(6)13)17-4-5(2-15)3-16/h1,4,17H.
What are the key properties of 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile?
2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile has a molecular weight of 241.15 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,5,6-tetrafluoroanilino)methylidene]propanedinitrile is sourced from PubChem (CID 26485483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).